HRID666748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID79882

2,2-Dimethyl-1-propylamine

C5H13N

HCID81531

Diisopropylethylamine

C8H19N

HCID94429

Triphosgene

C3Cl6O3

结构：CCC(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(N)c(F)c3)CC2)c1

HCID66879319

未命名化合物

PRODUCTS

生成物

结构：CCC(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(NC(=O)NCC(C)(C)C)c(F)c3)CC2)c1

HCID66878216

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1eb4899107f24784b0e67d9da1a7ab6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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