Water → HCID 23203301, compound

HRID 151354Notes

Reaction equation

HRID 151354 reaction equation
[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([CH2:12][CH2:13][CH3:14])[OH:15])[cH:9][cH:10]1.[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[O:46]=[C:47]([O:48][CH2:49][CH3:50])[N:51]=[N:52][C:53]([O:54][CH2:55][CH3:56])=[O:57].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1.[OH2:70].[OH:16][c:17]1[cH:18][cH:19][c:20]([C:21](=[O:22])[O:23][CH3:24])[cH:25][cH:26]1.[c:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([CH2:12][CH2:13][CH3:14])[O:15][c:17]2[cH:18][cH:19][c:20]([C:21](=[O:22])[O:23][CH3:24])[cH:25][cH:26]2)[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 962WaterHCID 1140TolueneHCID 7456MethylparabenHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 10998202HCID 10998202, compound

Product 1

HCID 23203301HCID 23203301, compound

Sources & evidence

ORD record
ord-1081201789a54d1a946d7139b7305f16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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