HRID92220

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID10040

Thiophosgene

CCl2S

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

HCID21890439

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=S)NCCN(C)C)c(C)c3C)c2cc1OC

HCID21891156

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68ce0f90ecc946979a2de46eb9abd020
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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