HRID105943

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID28123

Tetrahydroborate

H4B-

HCID28486

Lithium ion

Li+

结构：CCOC(=O)CC1CN=C(c2cc3c(C)ccc(N(C)S(=O)(=O)c4cccs4)c3[nH]2)S1

HCID59136158

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(N(C)S(=O)(=O)c2cccs2)c2[nH]c(C3=NCC(CCO)S3)cc12

HCID59136065

N-{2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-4-methyl-1H-indol-7-yl}-N-methylthiophene-2-sulfonamide

C19H21N3O3S3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1358eccf824940fc8427bb1922392b23
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

[BH4-:32].[CH3:1][c:2]1[c:3]2[cH:4][c:5]([C:21]3=[N:25][CH2:24][CH:23]([CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[S:22]3)[nH:6][c:7]2[c:8]([N:11]([S:12](=[O:13])(=[O:14])[c:15]2[s:16][cH:17][cH:18][cH:19]2)[CH3:20])[cH:9][cH:10]1.[CH3:52][OH:53].[Li+:33].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[OH:39][C:40]([CH2:41][C:42]([C:43](=[O:44])[OH:45])([CH2:46][C:47](=[O:48])[OH:49])[OH:50])=[O:51]>>[CH3:1][c:2]1[c:3]2[cH:4][c:5]([C:21]3=[N:25][CH2:24][CH:23]([CH2:26][CH2:27][OH:28])[S:22]3)[nH:6][c:7]2[c:8]([N:11]([S:12](=[O:13])(=[O:14])[c:15]2[s:16][cH:17][cH:18][cH:19]2)[CH3:20])[cH:9][cH:10]1