HRID201035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID2756370

1-Boc-3-aminopyrrolidine

C9H18N2O2

结构：Cn1ncc(NC(=O)Oc2ccccc2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID21904567

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc(NC(=O)NC2CCN(C(=O)OC(C)(C)C)C2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID21904584

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a1e576b8dcc4191991d55c00ba54f75
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:50]([N:51]([CH:52]([CH3:53])[CH3:54])[CH:55]([CH3:56])[CH3:57])[CH3:58].[CH2:59]([Cl:60])[Cl:61].[CH3:1][n:2]1[n:3][cH:4][c:5]([NH:27][C:28]([O:29][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:30])[c:6]1[NH:7][C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[NH2:37][CH:38]1[CH2:39][N:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:41][CH2:42]1>>[CH3:1][n:2]1[n:3][cH:4][c:5]([NH:27][C:28](=[O:29])[NH:37][CH:38]2[CH2:39][N:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:41][CH2:42]2)[c:6]1[NH:7][C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1