HRID1562114

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID887

Methanol

CH4O

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID4219896

N-Boc-2-isothiocyanatoethylamine

C8H14N2O2S

HCID18975394

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCNC(=S)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12

HCID19066049

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4b62703d7e84f3395c2bfae893c721f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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