HRID2151337

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3825290

1-(2-Bromophenyl)ethylamine

C8H10BrN

反应SMILES：CC(C)c1ccc2c(Nc3cc(C(=O)O)ccc3Sc3ccc(NC(=O)OC(C)(C)C)cc3)ncnc2n1

HCID59376892

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)c1ccc2c(Nc3cc(C(=O)NC(C)c4ccccc4Br)ccc3Sc3ccc(NC(=O)OC(C)(C)C)cc3)ncnc2n1

HCID67040358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-de47707e33dd407dae6a44d3bb9a9082
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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