HRID2138026

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID19024941

未命名化合物

结构：CN(c1cccc2cc(C(=O)O)[nH]c12)S(=O)(=O)c1cccs1

HCID57475951

未命名化合物

PRODUCTS

生成物

结构：CN(c1cccc2cc(C(=O)NCC3(SCc4ccccc4)CCOCC3)[nH]c12)S(=O)(=O)c1cccs1

HCID59135588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ceb5ece2bf9345a0a689b1dba247e145
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

[CH2:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[S:30][C:31]1([CH2:37][NH2:38])[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1.[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][c:7]2[cH:8][c:9]([C:12](=[O:13])[OH:14])[nH:10][c:11]12)[S:15](=[O:16])(=[O:17])[c:18]1[s:19][cH:20][cH:21][cH:22]1.[CH3:50][N:51]([CH3:52])[CH2:53][CH2:54][CH2:55][N:56]=[C:57]=[N:58][CH2:59][CH3:60].[CH3:66][C:67]#[N:68].[ClH:49].[Na+:61].[O:69]1[CH2:70][CH2:71][CH2:72][CH2:73]1.[OH:62][C:63](=[O:64])[O-:65].[n:39]1([OH:40])[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][c:7]2[cH:8][c:9]([C:12](=[O:14])[NH:38][CH2:37][C:31]3([S:30][CH2:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[CH2:32][CH2:33][O:34][CH2:35][CH2:36]3)[nH:10][c:11]12)[S:15](=[O:16])(=[O:17])[c:18]1[s:19][cH:20][cH:21][cH:22]1