Hydrochloric Acid → Benzyl 1-[[2,5-difluoro-4-[[2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylate

HRID 139985Notes

Reaction equation

HRID 139985 reaction equation
[CH3:63][N:64]1[CH2:65][CH2:66][CH2:67][C:68]1=[O:69].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:51].[Na+:58].[O:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C:17](=[O:18])[NH:19][c:20]1[n:21][cH:22][cH:23][c:24]([O:26][c:27]2[cH:28][c:29]([F:50])[c:30]([NH:34][C:35](=[O:36])[C:37]3([C:40](=[O:41])[O:42][CH2:43][c:44]4[cH:45][cH:46][cH:47][cH:48][cH:49]4)[CH2:38][CH2:39]3)[cH:31][c:32]2[F:33])[cH:25]1.[OH:52][CH:53]1[CH2:54][NH:55][CH2:56][CH2:57]1.[OH:59][C:60](=[O:61])[O-:62]>>[C:17](=[O:18])([NH:19][c:20]1[n:21][cH:22][cH:23][c:24]([O:26][c:27]2[cH:28][c:29]([F:50])[c:30]([NH:34][C:35](=[O:36])[C:37]3([C:40](=[O:41])[O:42][CH2:43][c:44]4[cH:45][cH:46][cH:47][cH:48][cH:49]4)[CH2:38][CH2:39]3)[cH:31][c:32]2[F:33])[cH:25]1)[N:55]1[CH2:54][CH:53]([OH:52])[CH2:57][CH2:56]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 982104-HydroxypyrrolidineHCID 24788625Benzyl 1-({[4-([2-[(phenoxycarbonyl)amino]pyridin-4-yl}oxy)-2,5-difluorophenyl]amino}carbonyl)cyclopropanecarboxylate

Product 1

HCID 68501114Benzyl 1-[[2,5-difluoro-4-[[2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylate

Sources & evidence

ORD record
ord-d40839ed463e4dbb816e1d1cf4647993
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…