HRID190844

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID34367

1-(9-Fluorenyl)methyl chloroformate

C15H11ClO2

结构：Nc1ccc(Sc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1

HCID67040890

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Sc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1)OCC1c2ccccc2-c2ccccc21

HCID67040084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f844100292c4b069119600403009c94
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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