HRID140353

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

结构：CCC(C)(C)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(CC(N)c2ccc(-c3ccc(F)cn3)cc2)n1

HCID68668213

未命名化合物

PRODUCTS

生成物

结构：CCC(C)(C)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(CC(NC(C)=O)c2ccc(-c3ccc(F)cn3)cc2)n1

HCID68667957

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5baa91d3ad84430b9de8727652ba17cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][C:2]([O:3][C:5]([CH3:6])=[O:7])=[O:4].[CH3:8][C:9]([CH2:10][c:11]1[n:12][c:13]([CH2:35][CH:36]([NH2:37])[c:38]2[cH:39][cH:40][c:41](-[c:44]3[n:45][cH:46][c:47]([F:50])[cH:48][cH:49]3)[cH:42][cH:43]2)[n:14]([C:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:15]1)([CH2:51][CH3:52])[CH3:53].[Cl:54][CH2:55][Cl:56]>>[C:5]([CH3:6])(=[O:7])[NH:37][CH:36]([CH2:35][c:13]1[n:12][c:11]([CH2:10][C:9]([CH3:8])([CH2:51][CH3:52])[CH3:53])[cH:15][n:14]1[C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[c:38]1[cH:39][cH:40][c:41](-[c:44]2[n:45][cH:46][c:47]([F:50])[cH:48][cH:49]2)[cH:42][cH:43]1