HRID88080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19354

Methyl vinyl sulfone

C3H6O2S

结构：CC(Oc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)sc1C(N)=O)c1ccc(F)c(OC2CCNCC2)c1Cl

HCID57937640

未命名化合物

PRODUCTS

生成物

结构：CC(Oc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)sc1C(N)=O)c1ccc(F)c(OC2CCN(CCS(C)(=O)=O)CC2)c1Cl

HCID57937515

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b47eef2c46fc4ee49090762a41510a70
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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