HRID1123194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

反应SMILES：ClC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID6456

Trityl chloride

C19H15Cl

HCID8471

Triethylamine

C6H15N

HCID5462222

Potassium

反应SMILES：CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178441684

未命名化合物

PRODUCTS

产物

反应SMILES：CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID11643218

{2-Butyl-5-chloro-3-[2'-(1-trityl-1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazol-4-yl}-methanol

C41H37ClN6O

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8cf9b9b7529e4b7e8039945ad1241c28
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:39]([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)([c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)([c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[Cl:58].[CH2:2]([CH2:3][CH2:4][CH3:5])[c:6]1[n:7]([CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[c:22](-[c:27]4[n:28][n:29][n:30][nH:31]4)[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[c:8]([CH2:12][OH:13])[c:9]([Cl:11])[n:10]1.[CH2:59]([Cl:60])[Cl:61].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[K:1].[OH2:62]>>[CH2:2]([CH2:3][CH2:4][CH3:5])[c:6]1[n:7]([CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[c:22](-[c:27]4[n:28][n:29][n:30][n:31]4[C:39]([c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)([c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[c:52]4[cH:53][cH:54][cH:55][cH:56][cH:57]4)[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[c:8]([CH2:12][OH:13])[c:9]([Cl:11])[n:10]1