HRID1129398

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID94429

Triphosgene

C3Cl6O3

HCID9974013

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCN(CC)C(=O)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

HCID23371527

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a16cb875a96b474da650e9e7de6f406d
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

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