HRID204856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID82693

5-Chloroindole-2-carboxylate

C9H6ClNO2

结构：CCCCCCCNCCc1csc(SC(C)(C)C(=O)OC(C)(C)C)n1

HCID59759312

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCN(CCc1csc(SC(C)(C)C(=O)OC(C)(C)C)n1)C(=O)c1cc2cc(Cl)ccc2[nH]1

HCID59759216

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03b31d0e47f74ee5b5957c3a9320787f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][NH:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[n:15]1)=[O:26].[CH3:40][N:41]([CH3:42])[CH2:43][CH2:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH3:50].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[Cl:27][c:28]1[cH:29][c:30]2[cH:31][c:32]([C:37](=[O:38])[OH:39])[nH:33][c:34]2[cH:35][cH:36]1.[OH2:66].[OH:51][c:52]1[c:53]2[n:54][n:55][nH:56][c:57]2[cH:58][cH:59][cH:60]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][N:18]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[C:37]([c:32]2[cH:31][c:30]3[cH:29][c:28]([Cl:27])[cH:36][cH:35][c:34]3[nH:33]2)=[O:38])[n:15]1)=[O:26]