HRID201792

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6212

Chloroform

CHCl3

HCID69194

1-Isocyanato-2-methylbenzene

C8H7NO

HCID21890439

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4C)c(C)c3C)c2cc1OC

HCID22667054

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bddea767d4b44898f6a1928266d087e
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

[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].[CH3:35][OH:36].[CH:37]([Cl:38])([Cl:39])[Cl:40].[c:25]1([CH3:34])[c:26]([N:31]=[C:32]=[O:33])[cH:27][cH:28][cH:29][cH:30]1>>[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:32]([NH:31][c:26]4[c:25]([CH3:34])[cH:30][cH:29][cH:28][cH:27]4)=[O:33])[cH:21][cH:22]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]