HRID308158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6268

(+/-)-Mercaptosuccinic acid

C4H6O4S

结构：CC(C)(C)CCN=Cc1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)s1

HCID57774452

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CCN1C(=O)C(CC(=O)O)SC1c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)s1

HCID76601989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea74fec3b1a44813a0dcc8651556d203
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

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