HRID200441

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID9321

Hydrazine

H4N2

HCID14801041

1-tert-Butyl-4-(isothiocyanatomethyl)benzene

C12H15NS

HCID15670033

未命名化合物

PRODUCTS

生成物

HCID10132456

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3958c3414504cf3bc8f95d378c1e59f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:24]([CH3:25])([CH3:26])([CH3:27])[c:28]1[cH:29][cH:30][c:31]([CH2:32][N:33]=[C:34]=[S:35])[cH:36][cH:37]1.[CH3:1][c:2]1[n:3][cH:4][s:5][c:6]1[CH2:7][CH2:8][N:9]1[C:10](=[O:11])[c:12]2[c:13]([cH:14][cH:15][cH:16][cH:17]2)[C:18]1=[O:19].[CH3:38][OH:39].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[Cl:50][CH2:51][Cl:52].[ClH:23].[NH2:21][NH2:22].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH2:20]>>[CH3:1][c:2]1[n:3][cH:4][s:5][c:6]1[CH2:7][CH2:8][NH:9][C:34]([NH:33][CH2:32][c:31]1[cH:30][cH:29][c:28]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:37][cH:36]1)=[S:35]