Isopropanol → HCID 87172165, compound

HRID 108735Notes

Reaction equation

HRID 108735 reaction equation
[C:1]12([CH2:2][S:3]([OH:4])(=[O:5])=[O:6])[C:7]([CH3:8])([CH3:9])[CH:10]([CH2:11][CH2:12]1)[CH2:13][C:14]2=[O:15].[CH:57]([OH:58])([CH3:59])[CH3:60].[Cl:16][c:17]1[n:18][cH:19][c:20]([Cl:37])[c:21]([NH:23][c:24]2[c:25]([C:26](=[O:27])[NH:28][CH2:29][C:30]#[CH:31])[cH:32][cH:33][cH:34][c:35]2[F:36])[n:22]1.[N:38]1([CH2:43][CH2:44][N:45]2[CH2:46][CH2:47][CH2:48][O:49][c:50]3[c:51]2[cH:52][cH:53][c:54]([NH2:56])[cH:55]3)[CH2:39][CH2:40][CH2:41][CH2:42]1>>[c:17]1([NH:56][c:54]2[cH:53][cH:52][c:51]3[c:50]([cH:55]2)[O:49][CH2:48][CH2:47][CH2:46][N:45]3[CH2:44][CH2:43][N:38]2[CH2:39][CH2:40][CH2:41][CH2:42]2)[n:18][cH:19][c:20]([Cl:37])[c:21]([NH:23][c:24]2[c:25]([C:26](=[O:27])[NH:28][CH2:29][C:30]#[CH:31])[cH:32][cH:33][cH:34][c:35]2[F:36])[n:22]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 672643719-(2-Pyrrolidin-1-yl-ethyl)-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocyclohepten-3-ylamineHCID 866339022-(2,5-Dichloro-pyrimidin-4-ylamino)-3-fluoro-N-prop-2-ynyl-benzamide

Product 1

HCID 87172165HCID 87172165, compound

Sources & evidence

ORD record
ord-29945d4451834a48ba73a5120668ba35
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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