HRID138471

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67338

1,2-Ethanediamine, N,N,N'-trimethyl-

C5H14N2

反应SMILES：COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3ccnc(Cl)c3)cn2)cc1

HCID45258863

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3ccnc(N(C)CCN(C)C)c3)cn2)cc1

HCID67385250

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ea243e993cb44193909b79760473a606
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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