HRID123743

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

结构：BrCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID10053461

5-[4'-(Bromomethyl)[1,1'-biphenyl]-2-yl]-1-(triphenylmethyl)-1H-tetrazole

C33H25BrN4

HCID178441847

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc2ccc(C(C)O)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID20079350

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-812f6496f68747498447341923d6575d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:19][CH2:20][c:21]1[cH:22][cH:23][c:24](-[c:27]2[c:28](-[c:33]3[n:34][n:35][n:36][n:37]3[C:38]([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)([c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[cH:29][cH:30][cH:31][cH:32]2)[cH:25][cH:26]1.[C:57](=[O:58])([O-:59])[O-:60].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[nH:6][c:7]2[cH:8][cH:9][c:10]([CH:16]([CH3:17])[OH:18])[cH:11][c:12]2[c:13](=[O:15])[n:14]1.[CH3:63][C:64](=[O:65])[CH3:66].[K+:61].[K+:62]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[cH:8][cH:9][c:10]([CH:16]([CH3:17])[OH:18])[cH:11][c:12]2[c:13](=[O:15])[n:14]1[CH2:20][c:21]1[cH:22][cH:23][c:24](-[c:27]2[c:28](-[c:33]3[n:34][n:35][n:36][n:37]3[C:38]([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)([c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[cH:29][cH:30][cH:31][cH:32]2)[cH:25][cH:26]1