HRID1132020

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID75646

Cyclopropanemethanamine

C4H9N

HCID94429

Triphosgene

C3Cl6O3

结构：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(N)c(F)c3Cl)CC2)c1

HCID57917628

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(NC(=O)NCC4CC4)c(F)c3Cl)CC2)c1

HCID57917615

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8be7ccfc3d33470a907006cc794b85a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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