2-Phenylbutyric Acid → Methyl 3-methoxy-4-[2,3,5-trimethyl-6-(2-phenylbutanamido)indol-1-ylmethyl]-benzoate

HRID 134129

Reaction equation

HRID 134129 reaction equation
[CH3:27][c:28]1[nH:29][c:30]2[c:31]([c:32]1[CH3:33])[cH:34][c:35]([CH3:36])[c:37]([N+:38]([O-:39])=[O:40])[cH:41]2.[NH2:1][c:2]1[c:3]([CH3:26])[cH:4][c:5]2[c:6]([CH3:25])[c:7]([CH3:24])[n:8]([CH2:11][c:12]3[c:13]([O:22][CH3:23])[cH:14][c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:20][cH:21]3)[c:9]2[cH:10]1.[c:42]1([CH:48]([C:49](=[O:50])[OH:51])[CH2:52][CH3:53])[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[NH:1]([c:2]1[c:3]([CH3:26])[cH:4][c:5]2[c:6]([CH3:25])[c:7]([CH3:24])[n:8]([CH2:11][c:12]3[c:13]([O:22][CH3:23])[cH:14][c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:20][cH:21]3)[c:9]2[cH:10]1)[C:49]([CH:48]([c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[CH2:52][CH3:53])=[O:50]

Participants

4

Reactant 3

HCID 70122-Phenylbutyric AcidHCID 6093282,3,5-Trimethyl-6-nitro-1H-indoleHCID 19744303Methyl 4-(6-amino-2,3,5-trimethylindol-1-ylmethyl)-3-methoxybenzoate

Product 1

HCID 19744308Methyl 3-methoxy-4-[2,3,5-trimethyl-6-(2-phenylbutanamido)indol-1-ylmethyl]-benzoate

Sources & evidence

ORD record
ord-d762baefc5f4444fa7734351fcb2e57a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

Loading…