HRID1148002

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID7509

Benzenemethanethiol

C7H8S

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CC(C)(C)OC(=O)N(c1cc(Cl)nc2c(C=O)cnn12)C1CC1

HCID58196421

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)N(c1cc(SCc2ccccc2)nc2c(C=O)cnn12)C1CC1

HCID86714600

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2f37b0eb3fca4df5aacbaa6472016c77
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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