Hydrochloric Acid → tert-butyl (1E,4E)-4-((2-amino-2-oxoethyl)(propyl)carbamoyl)-8-(4-(pyrrolidine-1-carbonyl)phenyl)-3H-benzo[b]azepin-2-ylcarbamate

HRID 1228114Notes

Reaction equation

HRID 1228114 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]1=[N:15][c:14]2[c:13]([cH:19][cH:18][c:17](-[c:20]3[cH:21][cH:22][c:23]([C:26](=[O:27])[N:28]4[CH2:29][CH2:30][CH2:31][CH2:32]4)[cH:24][cH:25]3)[cH:16]2)[CH:12]=[C:11]([C:33](=[O:34])[OH:35])[CH2:10]1.[CH2:37]([CH2:38][CH3:39])[NH:40][CH2:41][C:42](=[O:43])[NH2:44].[ClH:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]1=[N:15][c:14]2[c:13]([cH:19][cH:18][c:17](-[c:20]3[cH:21][cH:22][c:23]([C:26](=[O:27])[N:28]4[CH2:29][CH2:30][CH2:31][CH2:32]4)[cH:24][cH:25]3)[cH:16]2)[CH:12]=[C:11]([C:33](=[O:35])[N:40]([CH2:37][CH2:38][CH3:39])[CH2:41][C:42](=[O:43])[NH2:44])[CH2:10]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 15839438HCID 15839438, compoundHCID 66960164(1E,4E)-2-(tert-butoxycarbonylamino)-8-(4-(pyrrolidine-1-carbonyl)phenyl)-3H-benzo[b]azepine-4-carboxylic acid

Product 1

HCID 86653483tert-butyl (1E,4E)-4-((2-amino-2-oxoethyl)(propyl)carbamoyl)-8-(4-(pyrrolidine-1-carbonyl)phenyl)-3H-benzo[b]azepin-2-ylcarbamate

Sources & evidence

ORD record
ord-233343eae41844f186cbdba890bbdb12
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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