HRID294175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID46785639

未命名化合物

HCID66967732

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1c(CN(C)C(=O)C=Cc2cnc3c(c2)OC(C)(C)CN3)oc2ccccc12

HCID66966693

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8723fca51a14055aaaf3935e3aa42a6
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

[CH3:15][C:16]1([CH3:31])[CH2:17][NH:18][c:19]2[c:20]([cH:22][c:23]([CH:26]=[CH:27][C:28](=[O:29])[OH:30])[cH:24][n:25]2)[O:21]1.[CH3:1][NH:2][CH2:3][c:4]1[o:5][c:6]2[c:7]([c:8]1[CH3:9])[cH:10][cH:11][cH:12][cH:13]2.[CH3:51][N:52]([CH3:53])[CH2:54][CH2:55][CH2:56][N:57]=[C:58]=[N:59][CH2:60][CH3:61].[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[ClH:14].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:67].[OH:32][n:33]1[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[CH3:1][N:2]([CH2:3][c:4]1[o:5][c:6]2[c:7]([c:8]1[CH3:9])[cH:10][cH:11][cH:12][cH:13]2)[C:28]([CH:27]=[CH:26][c:23]1[cH:22][c:20]2[c:19]([n:25][cH:24]1)[NH:18][CH2:17][C:16]([CH3:15])([CH3:31])[O:21]2)=[O:30].[ClH:14]