Hydrochloric Acid → 3-[[2-[2-[5-(Dimethylcarbamoylamino)-2-propan-2-ylsulfonylphenyl]pyrrolidin-1-yl]-1-(4-fluoro-3-methoxyphenyl)-2-oxoethyl]amino]benzamide

HRID 690171Notes

Reaction equation

HRID 690171 reaction equation
[C:1]([NH2:2])(=[O:3])[c:4]1[cH:5][c:6]([NH:10][CH:11]([C:12](=[O:13])[OH:14])[c:15]2[cH:16][c:17]([O:22][CH3:23])[c:18]([F:21])[cH:19][cH:20]2)[cH:7][cH:8][cH:9]1.[CH:25]([CH3:26])([CH3:27])[S:28](=[O:29])(=[O:30])[c:31]1[c:32]([CH:43]2[NH:44][CH2:45][CH2:46][CH2:47]2)[cH:33][c:34]([NH:37][C:38]([N:39]([CH3:40])[CH3:41])=[O:42])[cH:35][cH:36]1.[ClH:24]>>[C:1]([NH2:2])(=[O:3])[c:4]1[cH:5][c:6]([NH:10][CH:11]([C:12](=[O:14])[N:44]2[CH:43]([c:32]3[c:31]([S:28]([CH:25]([CH3:26])[CH3:27])(=[O:29])=[O:30])[cH:36][cH:35][c:34]([NH:37][C:38]([N:39]([CH3:40])[CH3:41])=[O:42])[cH:33]3)[CH2:47][CH2:46][CH2:45]2)[c:15]2[cH:16][c:17]([O:22][CH3:23])[c:18]([F:21])[cH:19][cH:20]2)[cH:7][cH:8][cH:9]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 594794112-(3-Carbamoylphenylamino)-2-(4-fluoro-3-methoxyphenyl)acetic acidHCID 68439180HCID 68439180, compound

Product 1

HCID 723039373-[[2-[2-[5-(Dimethylcarbamoylamino)-2-propan-2-ylsulfonylphenyl]pyrrolidin-1-yl]-1-(4-fluoro-3-methoxyphenyl)-2-oxoethyl]amino]benzamide

Sources & evidence

ORD record
ord-ff27d8e06df542c8a5dfcec88f59ea10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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