HRID2310586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID79885

tert-Butoxy bis(dimethylamino)methane

C9H22N2O

结构：CC(=O)c1ccc(CSc2c(Cl)ccc3c2CCN(C(=O)OC(C)(C)C)CC3)cc1

HCID57656189

未命名化合物

PRODUCTS

生成物

结构：CN(C)C=CC(=O)c1ccc(CSc2c(Cl)ccc3c2CCN(C(=O)OC(C)(C)C)CC3)cc1

HCID66706905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbad47a5867f4879a9f046890a60d2f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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