HRID135892

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID94429

Triphosgene

C3Cl6O3

HCID313215

5-methylpyrazin-2-amine

C5H7N3

HCID43380188

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(NC(=O)Nc2cnc(C)cn2)c(OCc2cccnc2)c1

HCID67256002

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0037ff3d3aa84550822d2505b293b13e
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

[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([O:11][CH2:12][c:13]2[cH:14][n:15][cH:16][cH:17][cH:18]2)[c:7]([NH2:10])[cH:8][cH:9]1)=[O:19].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:39][c:40]1[n:41][cH:42][c:43]([NH2:46])[n:44][cH:45]1.[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cl:27][C:28]([Cl:29])([O:30][C:31]([O:32][C:33]([Cl:34])([Cl:35])[Cl:36])=[O:37])[Cl:38].[OH2:60]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([O:11][CH2:12][c:13]2[cH:14][n:15][cH:16][cH:17][cH:18]2)[c:7]([NH:10][C:31](=[O:37])[NH:46][c:43]2[cH:42][n:41][c:40]([CH3:39])[cH:45][n:44]2)[cH:8][cH:9]1)=[O:19]