HRID93610

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID4227815

1-Boc-2-Formylpyrrolidine

C10H17NO3

结构：Nc1cnc(-c2cccnc2)nc1Oc1ccc(NC(=O)OCc2ccccc2)cc1

HCID58247431

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1CNc1cnc(-c2cccnc2)nc1Oc1ccc(NC(=O)OCc2ccccc2)cc1

HCID67192726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d6d6ba363724bc48c12dc0a5b5938d6
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:32](=[O:33])([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[N:39]1[CH:40]([CH:41]=[O:42])[CH2:43][CH2:44][CH2:45]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][c:11]1[cH:12][cH:13][c:14]([O:17][c:18]2[n:19][c:20](-[c:25]3[cH:26][n:27][cH:28][cH:29][cH:30]3)[n:21][cH:22][c:23]2[NH2:24])[cH:15][cH:16]1)=[O:31].[Cl:46][CH2:47][CH2:48][Cl:49].[OH2:50]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][c:11]1[cH:12][cH:13][c:14]([O:17][c:18]2[n:19][c:20](-[c:25]3[cH:26][n:27][cH:28][cH:29][cH:30]3)[n:21][cH:22][c:23]2[NH:24][CH2:41][CH:40]2[N:39]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:45][CH2:44][CH2:43]2)[cH:15][cH:16]1)=[O:31]