HRID2122493

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5943

Carbon tetrachloride

CCl4

结构：CCC(C)(C)c1ccc(OCCCCNC(=O)c2ccc3ccccc3c2O)c(C(C)(C)CC)c1

HCID122566

2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-

C31H41NO3

HCID10976791

1H-Tetrazole-5-sulfenyl chloride, 1-phenyl-

C7H5ClN4S

PRODUCTS

生成物

结构：CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(Sc3nnnn3-c3ccccc3)c3ccccc3c2O)c(C(C)(C)CC)c1

HCID78767

2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[(1-phenyl-1H-tetrazol-5-yl)thio]-

C38H45N5O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06ec3dd18efb47fa931b9fced38ef268
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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