HRID106163

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID581157

[2-(2-Chloroacetamido)-1,3-thiazol-4-yl](methoxyimino)acetic acid

C8H8ClN3O4S

结构：CN1CN(SC2NC(=O)C2NC(c2ccccc2)(c2ccccc2)c2ccccc2)N=N1

HCID178481320

未命名化合物

PRODUCTS

生成物

结构：CON=C(C(=O)NC1C(=O)NC1SN1CN(C)N=N1)c1csc(NC(=O)CCl)n1

HCID178502785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-961c1bd3c6a74a1cbc536fc411326f95
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

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