HRID2328060

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID946

Nitrite ion

NO2-

HCID962

Water

H2O

HCID22253027

未命名化合物

结构：CCCOC1CC(C(O[Si](C)(C)C(C)(C)C)C(Cc2cc(F)cc(F)c2)NC(=O)c2cc(Br)cc(C(=O)OC)c2)N(C(=O)OC(C)(C)C)C1

HCID178458554

未命名化合物

结构：CCCOC1CC(C(O[Si](C)(C)C(C)(C)C)C(Cc2cc(F)cc(F)c2)NC(=O)c2cc(C)cc(C(=O)OC)c2)N(C(=O)OC(C)(C)C)C1

HCID178458555

未命名化合物

PRODUCTS

生成物

结构：CCCOC1CC(C(O[Si](C)(C)C(C)(C)C)C(Cc2cc(F)cc(F)c2)NC(=O)c2cc(O)cc(N3CCCC3=O)c2)N(C(=O)OC(C)(C)C)C1

HCID69634874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bde6dc30ea4e4b70a354e28d18d4ec3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:66][c:67]1[cH:68][c:69]([C:77]([NH:78][CH:79]([CH2:80][c:81]2[cH:82][c:83]([F:84])[cH:85][c:86]([F:87])[cH:88]2)[CH:89]([CH:90]2[CH2:91][CH:92]([O:93][CH2:94][CH2:95][CH3:96])[CH2:97][N:98]2[C:99]([O:100][C:101]([CH3:102])([CH3:103])[CH3:104])=[O:105])[O:106][Si:107]([C:108]([CH3:109])([CH3:110])[CH3:111])([CH3:112])[CH3:113])=[O:114])[cH:70][c:71]([C:72]([O:73][CH3:74])=[O:75])[cH:76]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH:8]([CH2:9][c:10]1[cH:11][c:12]([F:17])[cH:13][c:14]([F:16])[cH:15]1)[NH:18][C:19](=[O:20])[c:21]1[cH:22][c:23]([CH3:24])[cH:25][c:26]([C:27]([O:28][CH3:29])=[O:30])[cH:31]1)[CH:32]1[N:33]([C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[CH2:34][CH:35]([O:37][CH2:38][CH2:39][CH3:40])[CH2:36]1)([CH3:48])[CH3:49].[CH3:121][OH:122].[ClH:119].[N:115]([O-:116])=[O:117].[Na+:118].[OH2:120].[OH:50][c:51]1[cH:52][c:53]([C:54](=[O:55])[OH:56])[cH:57][c:58]([N:60]2[C:61](=[O:65])[CH2:62][CH2:63][CH2:64]2)[cH:59]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH:8]([CH2:9][c:10]1[cH:11][c:12]([F:17])[cH:13][c:14]([F:16])[cH:15]1)[NH:18][C:54]([c:53]1[cH:52][c:51]([OH:50])[cH:59][c:58]([N:60]2[C:61](=[O:65])[CH2:62][CH2:63][CH2:64]2)[cH:57]1)=[O:56])[CH:32]1[N:33]([C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[CH2:34][CH:35]([O:37][CH2:38][CH2:39][CH3:40])[CH2:36]1)([CH3:48])[CH3:49]