查数据/反应详情

HRID664787

反应详情

EQUATION

反应方程式

HRID 664787 的结构方程式

REACTANTS

反应物

2

结构：ClC(c1ccccc1)c1ccccc1

Benzene, 1,1'-(chloromethylene)bis-

C13H11Cl

结构：CC(C)(C)NC(=O)C(C)(C)N(O)C(C)(C)C

未命名化合物

PRODUCTS

生成物

1

结构：CC(C)(C)NC(=O)C(C)(C)N(OC(c1ccccc1)c1ccccc1)C(C)(C)C

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed677e8a54c842b19515c6bdb3af45f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]([OH:6])[C:7]([C:8](=[O:9])[NH:10][C:11]([CH3:12])([CH3:13])[CH3:14])([CH3:15])[CH3:16].[c:17]1([CH:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[Cl:30])[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]([O:6][CH:23]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[C:7]([C:8](=[O:9])[NH:10][C:11]([CH3:12])([CH3:13])[CH3:14])([CH3:15])[CH3:16]

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