HRID102316

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID8108

Butyl vinyl ether

C6H12O

HCID81531

Diisopropylethylamine

C8H19N

结构：C=C(OCC)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O

HCID11273170

未命名化合物

PRODUCTS

生成物

结构：C=C(OCCCC)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O

HCID44248250

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44cb0ccfc2794e35886824605af3d449
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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