HRID799199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID18925125

α-Amino-1,4-benzenediacetic acid

C10H11NO4

结构：Cc1nc2cc3c(cc2c(=O)n1COC(=O)C(C)(C)C)C(N(C)c1ccc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1)CC3

HCID19066320

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2cc3c(cc2c(=O)n1COC(=O)C(C)(C)C)C(N(C)c1ccc(C(=O)NC(C(=O)O)c2ccc(CC(=O)O)cc2)c(F)c1)CC3

HCID178432039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45c7c29edaa849afb49b1d1a601dc4c0
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[F:16][c:17]1[c:18]([C:19](=[O:20])[O:21][c:22]2[c:23]([F:24])[c:25]([F:26])[c:27]([F:28])[c:29]([F:30])[c:31]2[F:32])[cH:33][cH:34][c:35]([N:37]([CH:38]2[CH2:39][CH2:40][c:41]3[c:42]2[cH:43][c:44]2[c:45](=[O:60])[n:46]([CH2:52][O:53][C:54]([C:55]([CH3:56])([CH3:57])[CH3:58])=[O:59])[c:47]([CH3:51])[n:48][c:49]2[cH:50]3)[CH3:61])[cH:36]1.[NH2:1][CH:2]([C:3](=[O:4])[OH:5])[c:6]1[cH:7][cH:8][c:9]([CH2:12][C:13](=[O:14])[OH:15])[cH:10][cH:11]1.[OH:62][n:63]1[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[NH:1]([CH:2]([C:3](=[O:4])[OH:5])[c:6]1[cH:7][cH:8][c:9]([CH2:12][C:13](=[O:14])[OH:15])[cH:10][cH:11]1)[C:19]([c:18]1[c:17]([F:16])[cH:36][c:35]([N:37]([CH:38]2[CH2:39][CH2:40][c:41]3[c:42]2[cH:43][c:44]2[c:45](=[O:60])[n:46]([CH2:52][O:53][C:54]([C:55]([CH3:56])([CH3:57])[CH3:58])=[O:59])[c:47]([CH3:51])[n:48][c:49]2[cH:50]3)[CH3:61])[cH:34][cH:33]1)=[O:20]