HRID306076

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

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID46785639

未命名化合物

HCID66905303

未命名化合物

PRODUCTS

生成物

结构：Cc1c(CN(C)C(=O)C=Cc2cnc3c(c2)CCC(=O)N3)oc2ccccc12

HCID66780180

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a57ff12030146b7b8bb56f2dd782b4d
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

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