HRID1219364

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4348

N-Benzylethanolamine

C9H13NO

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：Cc1nccn1-c1ccc(Nc2nc3c(c(OS(=O)(=O)C(F)(F)F)n2)CN(C(=O)OC(C)(C)C)CC3)cc1

HCID59333780

未命名化合物

PRODUCTS

生成物

结构：Cc1nccn1-c1ccc(Nc2nc3c(c(N(CCO)Cc4ccccc4)n2)CN(C(=O)OC(C)(C)C)CC3)cc1

HCID59333735

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4091cb38be24ca7a2b5877d0790ff7a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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