HRID2331323

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6367

Acetyl chloride

C2H3ClO

HCID6586

Methyl chlorocarbonate

C2H3ClO2

反应SMILES：CC(C)(C)OC(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(c3cnc(N)s3)CSC12

HCID13175945

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)Nc1ncc(C2=C(C(=O)OC(c3ccccc3)c3ccccc3)N3C(=O)C(NC(=O)OC(C)(C)C)C3SC2)s1

HCID20430418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-021392ea8cb14da19b128f3ece4a35bb
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

[CH3:40][C:41](=[O:42])[Cl:43].[Cl:44][C:45](=[O:46])[O:47][CH3:48].[NH2:1][c:2]1[s:3][c:4]([C:7]2=[C:8]([C:24](=[O:25])[O:26][CH:27]([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[N:9]3[C:10](=[O:23])[CH:11]([NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH:12]3[S:13][CH2:14]2)[cH:5][n:6]1>>[NH:1]([c:2]1[s:3][c:4]([C:7]2=[C:8]([C:24](=[O:25])[O:26][CH:27]([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[N:9]3[C:10](=[O:23])[CH:11]([NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH:12]3[S:13][CH2:14]2)[cH:5][n:6]1)[C:45](=[O:46])[O:47][CH3:48]