HRID666024

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：CCC(C(=O)[O-])C1CN=C(c2cc3c(C)ccc(N(C)S(=O)(=O)c4cccs4)c3[nH]2)S1

HCID178454651

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-1f4d51eea7dd4930ac9e5b75d8340c51
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

[CH2:1]([CH3:2])[CH:3]([C:4](=[O:5])[O-:6])[CH:7]1[CH2:8][N:9]=[C:10]([c:12]2[nH:13][c:14]3[c:15]([N:22]([S:23](=[O:24])(=[O:25])[c:26]4[s:27][cH:28][cH:29][cH:30]4)[CH3:31])[cH:16][cH:17][c:18]([CH3:21])[c:19]3[cH:20]2)[S:11]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]>>[CH2:3]([C:4](=[O:5])[OH:6])[CH:7]1[CH2:8][N:9]=[C:10]([c:12]2[nH:13][c:14]3[c:15]([N:22]([S:23](=[O:24])(=[O:25])[c:26]4[s:27][cH:28][cH:29][cH:30]4)[CH3:31])[cH:16][cH:17][c:18]([CH3:21])[c:19]3[cH:20]2)[S:11]1