HRID1137549

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

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(CC(=O)O)S3)cc12

HCID59136105

(2-{4-methyl-7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazol-5-yl)acetic acid

C19H19N3O4S3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c451f496c79484abfa173de475c1116
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[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.[K+:33].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH-:32].[OH:34][C:35]([CH2:36][C:37]([C:38](=[O:39])[OH:40])([CH2:41][C:42](=[O:43])[OH:44])[OH:45])=[O:46]>>[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])[OH:29])[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