HRID122130

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID4574913

未命名化合物

HCID11275251

7-Chlorothieno[3,2-b]pyridine

C7H4ClNS

结构：COC(=O)CCSc1cnc(Nc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cs2)c(Oc2ccccc2)c1

HCID86631496

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2csc(Nc3ncc(Sc4ccnc5ccsc45)cc3Oc3ccccc3)n2)CC1

HCID86631497

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-148c5561092b4acb965ccff186c24823
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

[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:39][S:6][c:7]1[cH:8][c:9]([O:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:10]([NH:13][c:14]2[s:15][cH:16][c:17]([CH:19]3[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]3)[n:18]2)[n:11][cH:12]1.[CH3:50][C:51]([O-:52])([CH3:53])[CH3:54].[CH3:58][S:59]([CH3:60])=[O:61].[Cl-:56].[Cl:40][c:41]1[c:42]2[c:43]([n:44][cH:45][cH:46]1)[cH:47][cH:48][s:49]2.[K+:55].[NH4+:57]>>[S:6]([c:7]1[cH:8][c:9]([O:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:10]([NH:13][c:14]2[s:15][cH:16][c:17]([CH:19]3[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]3)[n:18]2)[n:11][cH:12]1)[c:41]1[c:42]2[c:43]([n:44][cH:45][cH:46]1)[cH:47][cH:48][s:49]2