HRID172545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID1485222

2-Chlorothiazole-5-carbonitrile

C4HClN2S

HCID58009888

未命名化合物

PRODUCTS

产物

HCID76829060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-30f894da77624b6d92f17b79c8e6f266
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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