HRID1239081

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8071

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)c1cc2[nH]c(-c3ccc(OCc4ccccc4)cc3N)c(C3CCCCC3)c2s1

HCID58679084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-78c7efa4a7cc42b28d0b1c8fcefe9146
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[Br:1][c:2]1[c:3]([CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[c:4]2[c:5]([nH:6]1)[cH:7][c:8]([C:10](=[O:11])[O:12][CH3:13])[s:9]2.[C:45](=[O:46])([O-:47])[OH:48].[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[O:27][c:28]1[cH:29][cH:30][c:31]([B:35]2[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]2)[c:32]([NH2:34])[cH:33]1.[CH3:50][O:51][CH2:52][CH2:53][O:54][CH3:55].[Na+:49].[OH2:44].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[c:2]1(-[c:31]2[cH:30][cH:29][c:28]([O:27][CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:33][c:32]2[NH2:34])[c:3]([CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[c:4]2[c:5]([nH:6]1)[cH:7][c:8]([C:10](=[O:11])[O:12][CH3:13])[s:9]2