Hydrochloric Acid → Hydrochloric Acid

HRID 1130250Notes

Reaction equation

HRID 1130250 reaction equation
[CH2:30]([CH3:31])[c:32]1[cH:33][cH:34][c:35](-[c:38]2[cH:39][cH:40][c:41]([CH2:44][OH:45])[cH:42][cH:43]2)[cH:36][cH:37]1.[CH2:77]1[O:78][CH2:79][CH2:80][CH2:81]1.[CH3:2][N:3]([CH3:4])[CH2:5][CH:6]1[CH2:7][c:8]2[cH:9][cH:10][c:11]([NH:16][S:17]([c:18]3[cH:19][cH:20][c:21]4[c:22]([cH:23][cH:24][cH:25][cH:26]4)[cH:27]3)(=[O:28])=[O:29])[cH:12][c:13]2[CH2:14][CH2:15]1.[ClH:1].[O:65]=[C:66]([O:67][CH2:68][CH3:69])[N:70]=[N:71][C:72]([O:73][CH2:74][CH3:75])=[O:76].[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[CH3:2][N:3]([CH3:4])[CH2:5][CH:6]1[CH2:7][c:8]2[cH:9][cH:10][c:11]([O:45][CH2:44][c:41]3[cH:40][cH:39][c:38](-[c:35]4[cH:34][cH:33][c:32]([CH2:30][CH3:31])[cH:37][cH:36]4)[cH:43][cH:42]3)[cH:12][c:13]2[CH2:14][CH2:15]1.[ClH:1]

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 1392188HCID 1392188, compoundHCID 22998651HCID 22998651, compound

Product 2

HCID 313Hydrochloric AcidHCID 18361592HCID 18361592, compound

Sources & evidence

ORD record
ord-83688f953d564f2ab1d6f17b8e647ac4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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