HRID2321661

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7525

N-Ethylmorpholine

C6H13NO

HCID15908

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

C8H17N3

HCID67164

Thiamorpholine

C4H9NS

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Cn1ccc2c(Nc3cccc(Cl)c3)ncc(C(=O)O)c21

HCID44475510

未命名化合物

PRODUCTS

生成物

结构：Cn1ccc2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCSCC3)c21

HCID57841005

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91e72a32924341f3b3c521ee745b99cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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