HRID702714

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：Nc1ccc(Oc2ccc(-c3c[nH]c(COc4ccccc4)n3)cc2)cc1

HCID178507748

未命名化合物

PRODUCTS

生成物

结构：CNc1ccc(Oc2ccc(-c3c[nH]c(COc4ccccc4)n3)cc2)cc1

HCID178482205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b8d001ff66a4f92a2723387369a8a15
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

[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:35][C:36]([O:37][C:38](=[O:39])[CH3:40])=[O:41].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl:48][CH2:49][Cl:50].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][c:9]1[nH:10][cH:11][c:12](-[c:14]2[cH:15][cH:16][c:17]([O:18][c:19]3[cH:20][cH:21][c:22]([NH2:23])[cH:24][cH:25]3)[cH:26][cH:27]2)[n:13]1.[OH2:51]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][c:9]1[nH:10][cH:11][c:12](-[c:14]2[cH:15][cH:16][c:17]([O:18][c:19]3[cH:20][cH:21][c:22]([NH:23][CH3:28])[cH:24][cH:25]3)[cH:26][cH:27]2)[n:13]1