HRID297842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID244

Benzyl alcohol

C7H8O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID166653

Hydride

H-

结构：CS(=O)c1nc(NC2CC2)n2ncc(C=C3NC(=O)NC3=O)c2n1

HCID178504623

未命名化合物

结构：CS(=O)(=O)c1nc(NC2CC2)n2ncc(C=C3NC(=O)NC3=O)c2n1

HCID178504851

未命名化合物

PRODUCTS

生成物

结构：O=C1NC(=O)C(=Cc2cnn3c(NC4CC4)nc(OCc4ccccc4)nc23)N1

HCID178518508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2f4adb715bd41f1a0f414d2e2c9775e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:60][N:61]1[CH2:62][CH2:63][CH2:64][C:65]1=[O:66].[CH:11]1([NH:14][c:15]2[n:16][c:17]([S:32]([CH3:33])(=[O:34])=[O:35])[n:18][c:19]3[n:20]2[n:21][cH:22][c:23]3[CH:24]=[C:25]2[C:26](=[O:31])[NH:27][C:28](=[O:30])[NH:29]2)[CH2:12][CH2:13]1.[CH:36]1([NH:37][c:38]2[n:39]3[n:40][cH:41][c:42]([CH:43]=[C:44]4[C:45](=[O:46])[NH:47][C:48](=[O:49])[NH:50]4)[c:51]3[n:52][c:53]([S:54]([CH3:55])=[O:56])[n:57]2)[CH2:58][CH2:59]1.[H-:9].[Na+:10].[OH2:67].[OH:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1>>[O:1]([CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[c:17]1[n:16][c:15]([NH:14][CH:11]2[CH2:12][CH2:13]2)[n:20]2[c:19]([n:18]1)[c:23]([CH:24]=[C:25]1[C:26](=[O:31])[NH:27][C:28](=[O:30])[NH:29]1)[cH:22][n:21]2