HRID122710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID28123

Tetrahydroborate

H4B-

HCID4227815

1-Boc-2-Formylpyrrolidine

C10H17NO3

结构：Cc1nc(CN2CCN(C(C(=O)NC(Cc3ccccc3)C(O)CN)C(C)C)C2=O)cs1

HCID178432937

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(CN2CCN(C(C(=O)NC(Cc3ccccc3)C(O)CNCC3CCCN3C(=O)OC(C)(C)C)C(C)C)C2=O)cs1

HCID178432934

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23669c4526eb41c48c0faad58a5fa067
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

[BH4-:53].[CH3:55][CH2:56][OH:57].[NH2:1][CH2:2][CH:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[NH:12][C:13]([CH:14]([CH:15]([CH3:16])[CH3:17])[N:18]1[C:19](=[O:30])[N:20]([CH2:23][c:24]2[n:25][c:26]([CH3:29])[s:27][cH:28]2)[CH2:21][CH2:22]1)=[O:31])[OH:32].[Na+:54].[O:39]([C:40]([CH3:41])([CH3:42])[CH3:43])[C:44](=[O:45])[N:46]1[CH:47]([CH:48]=[O:49])[CH2:50][CH2:51][CH2:52]1.[cH:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[NH:1]([CH2:2][CH:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[NH:12][C:13]([CH:14]([CH:15]([CH3:16])[CH3:17])[N:18]1[C:19](=[O:30])[N:20]([CH2:23][c:24]2[n:25][c:26]([CH3:29])[s:27][cH:28]2)[CH2:21][CH2:22]1)=[O:31])[OH:32])[CH2:48][CH:47]1[N:46]([C:44]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:45])[CH2:52][CH2:51][CH2:50]1