4-(1H-pyrazol-1-yl)benzoyl chloride → HCID 72445408, compound

HRID 1205092Notes

Reaction equation

HRID 1205092 reaction equation
[OH:1][CH:2]1[CH2:3][N:4]2[C:5](=[O:39])[CH:6]([NH:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH:12]=[CH:13][CH:14]3[CH2:15][C:16]3([C:22](=[O:23])[NH:24][S:25](=[O:26])(=[O:27])[CH:28]3[CH2:29][CH2:30]3)[NH:17][C:18](=[O:21])[CH:19]2[CH2:20]1.[n:40]1(-[c:45]2[cH:46][cH:47][c:48]([C:49](=[O:50])[Cl:51])[cH:52][cH:53]2)[n:41][cH:42][cH:43][cH:44]1>>[O:1]([CH:2]1[CH2:3][N:4]2[C:5](=[O:39])[CH:6]([NH:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH:12]=[CH:13][CH:14]3[CH2:15][C:16]3([C:22](=[O:23])[NH:24][S:25](=[O:26])(=[O:27])[CH:28]3[CH2:29][CH2:30]3)[NH:17][C:18](=[O:21])[CH:19]2[CH2:20]1)[C:49]([c:48]1[cH:47][cH:46][c:45](-[n:40]2[n:41][cH:42][cH:43][cH:44]2)[cH:53][cH:52]1)=[O:50]

Participants

3

Reactant 2

HCID 27764744-(1H-pyrazol-1-yl)benzoyl chlorideHCID 68797769tert-butyl N-[4-(cyclopropylsulfonylcarbamoyl)-18-hydroxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate

Product 1

HCID 72445408HCID 72445408, compound

Sources & evidence

ORD record
ord-a691fe2ab8d94a0da30404af1391c914
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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