HRID692407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID5250894

未命名化合物

HCID14442127

3-(2-Methyl-2H-tetrazol-5-yl)aniline

C8H9N5

HCID59499337

未命名化合物

PRODUCTS

产物

HCID16736327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-09ba101c1d21423b943c76b653ffb526
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]1[nH:4][cH:5][cH:6][n:7]1)[c:8]1[nH:9][cH:10][cH:11][n:12]1.[C:50](=[O:51])([OH:52])[O-:53].[CH3:13][n:14]1[n:15][c:16](-[c:19]2[cH:20][c:21]([NH2:25])[cH:22][cH:23][cH:24]2)[n:17][n:18]1.[Cl:55][CH2:56][Cl:57].[Na+:54].[c:26]1([CH:32]([CH2:33][CH2:34][NH:35][CH2:36][CH2:37][N:38]2[CH2:39][CH2:40][O:41][CH2:42][CH2:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[C:1](=[O:2])([NH:25][c:21]1[cH:20][c:19](-[c:16]2[n:15][n:14]([CH3:13])[n:18][n:17]2)[cH:24][cH:23][cH:22]1)[N:35]([CH2:34][CH2:33][CH:32]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[CH2:36][CH2:37][N:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1