HRID2346216

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6115

Aniline

C6H7N

HCID4574913

未命名化合物

结构：CC(C)(C)OC(=O)NC1CCCCN(Cc2cccc(I)c2)C1=O

HCID23555228

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCCCN(Cc2cccc(Nc3ccccc3)c2)C1=O

HCID68950358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af1e83bd753649b89cdec4aed5b4bbdb
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]([NH:7][CH:8]1[C:9](=[O:23])[N:10]([CH2:15][c:16]2[cH:17][c:18]([I:22])[cH:19][cH:20][cH:21]2)[CH2:11][CH2:12][CH2:13][CH2:14]1)=[O:24].[CH3:32][C:33]([CH3:34])([O-:35])[CH3:36].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[NH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[Na+:37].[OH2:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[C:9](=[O:23])[N:10]([CH2:15][c:16]2[cH:17][c:18]([NH:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:19][cH:20][cH:21]2)[CH2:11][CH2:12][CH2:13][CH2:14]1)=[O:24]