Hydrochloric Acid → HCID 178428072, compound

HRID 1127000Notes

Reaction equation

HRID 1127000 reaction equation
[C:1](#[N:2])[C:3]1([NH:6][C:7](=[O:8])[CH:9]2[N:10]([c:28]3[n:29]([CH:34]4[CH2:35][CH2:36][O:37][CH2:38][CH2:39]4)[n:30][c:31]([CH3:33])[cH:32]3)[CH2:11][CH:12]([S:14](=[O:15])(=[O:16])[c:17]3[c:18]([C:24]([F:25])([F:26])[F:27])[cH:19][c:20]([F:23])[cH:21][cH:22]3)[CH2:13]2)[CH2:4][CH2:5]1.[CH3:47][C:48]#[N:49].[ClH:40].[F:41][C:42]1([F:46])[CH2:43][NH:44][CH2:45]1>>[C:1](#[N:2])[C:3]1([NH:6][C:7](=[O:8])[CH:9]2[N:10]([c:28]3[n:29]([CH:34]4[CH2:35][CH2:36][O:37][CH2:38][CH2:39]4)[n:30][c:31]([CH3:33])[cH:32]3)[CH2:11][CH:12]([S:14](=[O:15])(=[O:16])[c:17]3[c:18]([C:24]([F:25])([F:26])[F:27])[cH:19][c:20]([N:44]4[CH2:43][C:42]([F:41])([F:46])[CH2:45]4)[cH:21][cH:22]3)[CH2:13]2)[CH2:4][CH2:5]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 27582483,3-DifluoroazetidineHCID 72322229HCID 72322229, compound

Product 1

HCID 178428072HCID 178428072, compound

Sources & evidence

ORD record
ord-b636ef92e092443e891c1b88844dd2b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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