HRID1547926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：CCOCc1nc2cnc3cc(OCc4ccccc4)ccc3c2n1CC1COC(C)(C)O1

HCID67051147

未命名化合物

PRODUCTS

生成物

结构：CCOCc1nc2c(N)nc3cc(OCc4ccccc4)ccc3c2n1CC1COC(C)(C)O1

HCID57545317

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f691382bdbae4d0b827aa925e1444a3a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]2[c:13]3[c:14]([cH:15][n:16][c:17]2[cH:18]1)[n:19][c:20]([CH2:30][O:31][CH2:32][CH3:33])[n:21]3[CH2:22][CH:23]1[O:24][C:25]([CH3:28])([CH3:29])[O:26][CH2:27]1.[Cl:58][CH2:59][Cl:60].[NH4+:45].[OH-:46].[OH:34][O:35][C:36]([c:37]1[cH:38][c:39]([Cl:40])[cH:41][cH:42][cH:43]1)=[O:44].[c:47]1([CH3:48])[cH:49][cH:50][c:51]([S:52]([Cl:53])(=[O:54])=[O:55])[cH:56][cH:57]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]2[c:13]3[c:14]([c:15]([NH2:45])[n:16][c:17]2[cH:18]1)[n:19][c:20]([CH2:30][O:31][CH2:32][CH3:33])[n:21]3[CH2:22][CH:23]1[O:24][C:25]([CH3:28])([CH3:29])[O:26][CH2:27]1