HRID141850

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl Acetate

C4H8O2

HCID9795358

1-(4-Cyanobenzyl)-5-(chloromethyl)imidazole

C12H10ClN3

HCID21268368

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

2 次

HCID9960347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c732df6d02af45d2a8f000599d501f4a
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

[C:31](#[N:32])[c:33]1[cH:34][cH:35][c:36]([CH2:37][n:38]2[cH:39][n:40][cH:41][c:42]2[CH2:43][Cl:44])[cH:45][cH:46]1.[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:54][C:55]#[N:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[ClH:30].[c:1]1([N:7]2[CH2:8][N:9]([CH2:18][c:19]3[cH:20][c:21]([O:25][C:26]([F:27])([F:28])[F:29])[cH:22][cH:23][cH:24]3)[C:10](=[O:17])[C:11]23[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:30].[ClH:44].[c:1]1([N:7]2[CH2:8][N:9]([CH2:18][c:19]3[cH:20][c:21]([O:25][C:26]([F:27])([F:28])[F:29])[cH:22][cH:23][cH:24]3)[C:10](=[O:17])[C:11]23[CH2:12][CH2:13][N:14]([CH2:43][c:42]2[n:38]([CH2:37][c:36]4[cH:35][cH:34][c:33]([C:31]#[N:32])[cH:46][cH:45]4)[cH:39][n:40][cH:41]2)[CH2:15][CH2:16]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1