HRID309492

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6341

Ethanamine

C2H7N

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(O)CC1CSC(c2cc3cccc(NC4CCCC4)c3[nH]2)=N1

HCID66974336

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)CC1CSC(c2cc3cccc(NC4CCCC4)c3[nH]2)=N1

HCID66974367

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d64ffd1f46524e39aa63455ad4967c7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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