HRID86288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID7477

Benzoyl chloride, 4-methoxy-

C8H7ClO2

结构：Cc1c(NCC(N)C(=O)OC(C)(C)C)ncnc1N1CCC(c2ccc3c(n2)NCCC3)CC1

HCID66641074

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)C(CNc2ncnc(N3CCC(c4ccc5c(n4)NCCC5)CC3)c2C)C(=O)OC(C)(C)C)cc1

HCID66641274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-862b3def0b4f4f7ea4edc94a8709df4e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[Cl:9])[cH:10][cH:11]1.[Cl:46][CH2:47][Cl:48].[NH2:12][CH:13]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:21][NH:22][c:23]1[n:24][cH:25][n:26][c:27]([N:30]2[CH2:31][CH2:32][CH:33]([c:36]3[n:37][c:38]4[c:43]([cH:44][cH:45]3)[CH2:42][CH2:41][CH2:40][NH:39]4)[CH2:34][CH2:35]2)[c:28]1[CH3:29].[cH:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[CH:13]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:21][NH:22][c:23]2[n:24][cH:25][n:26][c:27]([N:30]3[CH2:31][CH2:32][CH:33]([c:36]4[n:37][c:38]5[c:43]([cH:44][cH:45]4)[CH2:42][CH2:41][CH2:40][NH:39]5)[CH2:34][CH2:35]3)[c:28]2[CH3:29])[cH:10][cH:11]1