HRID2128490

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22671618

1,4-Dihydro-2,4-dioxo-2H-3,1-benzoxazine-6-sulfonyl chloride

C8H4ClNO5S

结构：c1ccc(COCC2CC(SC(c3ccccc3)(c3ccccc3)c3ccccc3)CN2)cc1

HCID22671660

未命名化合物

PRODUCTS

生成物

结构：O=c1[nH]c2ccc(S(=O)(=O)N3CC(SC(c4ccccc4)(c4ccccc4)c4ccccc4)CC3COCc3ccccc3)cc2c(=O)o1

HCID22671864

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7130a7fcbb9b4aee947af52b5462c25c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH:10]1[NH:11][CH2:12][CH:13]([S:15][C:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH2:14]1.[O:35]=[c:36]1[o:37][c:38](=[O:50])[c:39]2[c:40]([nH:41]1)[cH:42][cH:43][c:44]([S:46](=[O:47])(=[O:48])[Cl:49])[cH:45]2>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH:10]1[N:11]([S:46]([c:44]2[cH:43][cH:42][c:40]3[c:39]([c:38](=[O:50])[o:37][c:36](=[O:35])[nH:41]3)[cH:45]2)(=[O:47])=[O:48])[CH2:12][CH:13]([S:15][C:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH2:14]1