HRID1218362

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：COC(=O)c1c(NCc2ccc(OC)c(Cl)c2)nc(SCc2ccccc2)nc1N1CCn2ccnc2C1

HCID17848303

4-(3-Chloro-4-methoxybenzylamino)-5-methoxycarbonyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-yl)-2-benzylthiopyrimidine

C27H27ClN6O3S

PRODUCTS

生成物

结构：COC(=O)c1c(NCc2ccc(OC)c(Cl)c2)nc(S(=O)Cc2ccccc2)nc1N1CCn2ccnc2C1

HCID17848302

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43318b8f7c624edabc7689b6a849f800
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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