HRID1222544

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID5142091

O-(Tetrahydro-2H-pyran-2-yl)hydroxylamine

C5H11NO2

结构：COc1cccc(CN2CCC(Nc3cnc(C=CC(=O)O)cn3)C2)c1

HCID178490263

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(CN2CCC(Nc3cnc(C=CC(=O)NOC4CCCCO4)cn3)C2)c1

HCID178490262

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36fbff57fadb411188c1a8fae6a09956
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][N:7]2[CH2:8][CH:9]([NH:12][c:13]3[n:14][cH:15][c:16]([CH:19]=[CH:20][C:21](=[O:22])[OH:23])[n:17][cH:18]3)[CH2:10][CH2:11]2)[cH:24][cH:25][cH:26]1.[CH3:45][N:46]([CH3:47])[CH2:48][CH2:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH3:55].[Na+:60].[O-:56][C:57]([OH:58])=[O:59].[O:27]1[CH:28]([O:33][NH2:34])[CH2:29][CH2:30][CH2:31][CH2:32]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH:35][n:36]1[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][N:7]2[CH2:8][CH:9]([NH:12][c:13]3[n:14][cH:15][c:16]([CH:19]=[CH:20][C:21](=[O:23])[NH:34][O:33][CH:28]4[O:27][CH2:32][CH2:31][CH2:30][CH2:29]4)[n:17][cH:18]3)[CH2:10][CH2:11]2)[cH:24][cH:25][cH:26]1