HRID2348891

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

HCID77195

Cyclopentanemethanol

C6H12O

HCID54132426

未命名化合物

结构：COC(=O)C(Cc1ccc(-c2ccnc(C)c2C)cc1)NC(=O)C1Cc2cc3c(cc2CN1C(=O)OC(C)(C)C)OC(c1cccc(O)c1)CO3

HCID178499763

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(-c2ccnc(C)c2C)cc1)NC(=O)C1Cc2cc3c(cc2CN1C(=O)OC(C)(C)C)OC(c1cccc(OCC2CCCC2)c1)CO3

HCID178499764

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0abc9314d2014230a97f3cce8c8bfff6
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]3[c:13]([cH:14][c:15]2[CH2:16][CH:17]1[C:18]([NH:19][CH:20]([CH2:21][c:22]1[cH:23][cH:24][c:25](-[c:28]2[c:29]([CH3:35])[c:30]([CH3:34])[n:31][cH:32][cH:33]2)[cH:26][cH:27]1)[C:36](=[O:37])[O:38][CH3:39])=[O:40])[O:41][CH2:42][CH:43]([c:45]1[cH:46][c:47]([OH:51])[cH:48][cH:49][cH:50]1)[O:44]3.[CH3:97][OH:98].[CH:52]1([CH2:57][OH:58])[CH2:53][CH2:54][CH2:55][CH2:56]1.[Cl:94][CH2:95][Cl:96].[N:78]([C:79]([O:80][CH2:81][CH:82]([CH3:83])[CH3:84])=[O:85])=[N:86][C:87]([O:88][CH2:89][CH:90]([CH3:91])[CH3:92])=[O:93].[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]3[c:13]([cH:14][c:15]2[CH2:16][CH:17]1[C:18]([NH:19][CH:20]([CH2:21][c:22]1[cH:23][cH:24][c:25](-[c:28]2[c:29]([CH3:35])[c:30]([CH3:34])[n:31][cH:32][cH:33]2)[cH:26][cH:27]1)[C:36](=[O:37])[O:38][CH3:39])=[O:40])[O:41][CH2:42][CH:43]([c:45]1[cH:46][c:47]([O:51][CH2:57][CH:52]2[CH2:53][CH2:54][CH2:55][CH2:56]2)[cH:48][cH:49][cH:50]1)[O:44]3