HRID673952

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID10704

2-Methylbenzamide

C8H9NO

结构：Cc1ccc(C(=O)N(CCCNC(=O)OC(C)(C)C)C(c2nc3nccnc3c(=O)n2Cc2ccccc2)C(C)C)cc1

HCID69314695

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)N(CCCN)C(c2nc3nccnc3c(=O)n2Cc2ccccc2)C(C)C)cc1

HCID22172580

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5533c73f5384ae69284d3a83bc311b3
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:11]([O:12][C:13](=[O:14])[NH:17][CH2:18][CH2:19][CH2:20][N:21]([C:22]([c:23]1[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]1)=[O:30])[CH:31]([CH:32]([CH3:33])[CH3:34])[c:35]1[n:36][c:37]2[n:38][cH:39][cH:40][n:41][c:42]2[c:43](=[O:52])[n:44]1[CH2:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)([CH3:15])([CH3:16])[CH3:53].[Cl:62][CH2:63][Cl:64].[F:54][C:55]([F:56])([F:57])[C:58]([OH:59])=[O:60].[OH2:61].[c:1]1([CH3:2])[c:3]([C:4]([NH2:5])=[O:6])[cH:7][cH:8][cH:9][cH:10]1>>[NH2:17][CH2:18][CH2:19][CH2:20][N:21]([C:22]([c:23]1[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]1)=[O:30])[CH:31]([CH:32]([CH3:33])[CH3:34])[c:35]1[n:36][c:37]2[n:38][cH:39][cH:40][n:41][c:42]2[c:43](=[O:52])[n:44]1[CH2:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1