HRID313489

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID66765

2H-Benzimidazol-2-one, 5-amino-1,3-dihydro-

C7H7N3O

结构：CCS(=O)(=O)c1ncc2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2n1

HCID67102269

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Oc2ccc3cnc(Nc4ccc5[nH]c(=O)[nH]c5c4)nc3c2)CC1

HCID67102611

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cea1851a56124f498ca8132cdba2c73a
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

[CH2:1]([S:2](=[O:3])(=[O:4])[c:6]1[n:7][c:8]2[cH:9][c:10]([O:16][CH:17]3[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]3)[cH:11][cH:12][c:13]2[cH:14][n:15]1)[CH3:5].[CH3:41][C:42]#[N:43].[NH2:30][c:31]1[cH:32][c:33]2[c:34]([nH:35][c:36](=[O:38])[nH:37]2)[cH:39][cH:40]1>>[c:6]1([NH:30][c:31]2[cH:32][c:33]3[c:34]([nH:35][c:36](=[O:38])[nH:37]3)[cH:39][cH:40]2)[n:7][c:8]2[cH:9][c:10]([O:16][CH:17]3[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]3)[cH:11][cH:12][c:13]2[cH:14][n:15]1