Hydrochloric Acid → 1-[3-Tert-butyl-1-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea

HRID 1153525Notes

Reaction equation

HRID 1153525 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:27]2[cH:28][cH:29][c:30]([CH2:33][C:34](=[O:35])[OH:36])[cH:31][cH:32]2)[c:8]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17]([O:20][c:21]3[cH:22][cH:23][n:24][cH:25][cH:26]3)[cH:18][cH:19]2)[cH:9]1.[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:44][N:45]([CH3:46])[CH2:47][CH2:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH3:54].[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[Cl:67][CH2:68][Cl:69].[ClH:43].[NH:37]1[CH2:38][CH:39]([OH:42])[CH2:40][CH2:41]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:27]2[cH:28][cH:29][c:30]([CH2:33][C:34](=[O:36])[N:37]3[CH2:38][CH:39]([OH:42])[CH2:40][CH2:41]3)[cH:31][cH:32]2)[c:8]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17]([O:20][c:21]3[cH:22][cH:23][n:24][cH:25][cH:26]3)[cH:18][cH:19]2)[cH:9]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 982104-HydroxypyrrolidineHCID 11496770(4-{3-tert-butyl-5-[({[4-(pyridin-4-yloxy)phenyl]amino}carbonyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid

Product 1

HCID 730223371-[3-Tert-butyl-1-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea

Sources & evidence

ORD record
ord-741c671b6cdc4c25b2e9709606f9229c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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