HRID2137256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

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

PRODUCTS

生成物

结构：CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(S)c3ccccc3c2O)c(C(C)(C)CC)c1

HCID10984002

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-510a3cfda435463ea43440e3f4c25d5f
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

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