HRID1150442

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：O=C(O)Cn1ccc(NC(=O)OC(c2ccccc2)c2ccccc2)nc1=O

HCID15513042

[4-{[(Diphenylmethoxy)carbonyl]amino}-2-oxopyrimidin-1(2H)-yl]acetic acid

C20H17N3O5

结构：O=C1CNCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]

HCID22222375

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C(=O)C2)c(=O)n1)OC(c1ccccc1)c1ccccc1

HCID22222435

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-239df81190894c089aed385d2d389b4c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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